Detailed information for compound 1582065

Basic information

Technical information
  • TDR Targets ID: 1582065
  • Name: 5-cyano-4-furan-2-yl-2-methyl-6-methylsulfany l-N-phenylpyridine-3-carboxamide
  • MW: 349.406 | Formula: C19H15N3O2S
  • H donors: 1 H acceptors: 3 LogP: 3.38 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1nc(C)c(c(c1C#N)c1ccco1)C(=O)Nc1ccccc1
  • InChi: 1S/C19H15N3O2S/c1-12-16(18(23)22-13-7-4-3-5-8-13)17(15-9-6-10-24-15)14(11-20)19(21-12)25-2/h3-10H,1-2H3,(H,22,23)
  • InChiKey: QLKLGCRRTODTTR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-cyano-4-(2-furyl)-2-methyl-6-methylsulfanyl-N-phenyl-pyridine-3-carboxamide
  • 5-cyano-4-(2-furyl)-2-methyl-6-(methylthio)-N-phenyl-3-pyridinecarboxamide
  • 5-cyano-4-(2-furyl)-2-methyl-6-(methylthio)-N-phenyl-nicotinamide
  • 5-cyano-4-furan-2-yl-2-methyl-6-methylsulfanyl-N-phenyl-pyridine-3-carboxamide
  • ZINC00033020
  • Oprea1_285753
  • 5-Cyano-4-furan-2-yl-2-methyl-6-methylsulfanyl-N-phenyl-nicotinamide
  • MLS000589531
  • SMR000213000
  • A0350/0016120
  • EU-0084005

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0544 0.0564 0.109
Loa Loa (eye worm) hypothetical protein 0.3244 1 1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.1864 0.5176 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.1864 0.5176 1
Onchocerca volvulus 0.0382 0 0.5
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0544 0.0564 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0544 0.0564 0.0564
Schistosoma mansoni choline o-acyltransferase 0.0382 0 0.5
Onchocerca volvulus 0.0382 0 0.5
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0544 0.0564 0.0564
Schistosoma mansoni choline o-acyltransferase 0.0382 0 0.5
Leishmania major carnitine palmitoyltransferase-like protein 0.0544 0.0564 0.109
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0544 0.0564 0.109
Onchocerca volvulus 0.0382 0 0.5
Onchocerca volvulus 0.0382 0 0.5
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.1864 0.5176 1
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0544 0.0564 0.109
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.1864 0.5176 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.1864 0.5176 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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